N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

C15H25F3N4O5 — CID 171324514

IUPACN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CC(NC(=O)C1CCCN1)C(=O)NCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N4O3.C2HF3O2/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9;3-2(4,5)1(6)7/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20);(H,6,7)
InChIKeyRNHWSCDHHHUWRY-UHFFFAOYSA-N
MW398.38 g/mol
LogP-0.50
Rot. Bonds7

About N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171324514) has the molecular formula C15H25F3N4O5 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171324514
Molecular FormulaC15H25F3N4O5
Molecular Weight398.38 g/mol
Exact Mass398.18
IUPAC NameN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CC(NC(=O)C1CCCN1)C(=O)NCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N4O3.C2HF3O2/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9;3-2(4,5)1(6)7/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20);(H,6,7)
InChIKeyRNHWSCDHHHUWRY-UHFFFAOYSA-N
XLogP-0.50
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
CID 91619283
2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
CID 52917433
(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 10497377
(2S)-N-[(2S)-4-methyl-1-(octadecylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102062594
(2S)-2-[[(2S)-3-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]butanoyl]amino]propanoic acid
CID 25126477
(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 145457511
ethane;N-[4-methyl-1-oxo-1-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;sulfur monoxide
CID 143783656
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
(2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide
CID 71352515
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 22797057

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 171324514) is N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)CC(NC(=O)C1CCCN1)C(=O)NCC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RNHWSCDHHHUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3.C2HF3O2/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9;3-2(4,5)1(6)7/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20);(H,6,7).
What are the key properties of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 398.38 g/mol, XLogP of -0.50, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171324514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).