N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide

C13H23N5O4 — CID 126843298

IUPACN-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCNC1=O)C(=O)NCCC(N)=O
InChIInChI=1S/C13H23N5O4/c1-8(2)7-9(11(20)15-4-3-10(14)19)17-13(22)18-6-5-16-12(18)21/h8-9H,3-7H2,1-2H3,(H2,14,19)(H,15,20)(H,16,21)(H,17,22)/t9-/m0/s1
InChIKeyQSUZCTIEYRHTJE-VIFPVBQESA-N
MW313.36 g/mol
LogP-0.87
Rot. Bonds7

About N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide

N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 126843298) has the molecular formula C13H23N5O4 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide
PubChem CID126843298
Molecular FormulaC13H23N5O4
Molecular Weight313.36 g/mol
Exact Mass313.18
IUPAC NameN-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCNC1=O)C(=O)NCCC(N)=O
InChIInChI=1S/C13H23N5O4/c1-8(2)7-9(11(20)15-4-3-10(14)19)17-13(22)18-6-5-16-12(18)21/h8-9H,3-7H2,1-2H3,(H2,14,19)(H,15,20)(H,16,21)(H,17,22)/t9-/m0/s1
InChIKeyQSUZCTIEYRHTJE-VIFPVBQESA-N
XLogP-0.87
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methylpropyl)imidazolidine-2,4-dione
CID 100892
Pareptide
CID 10086055
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methyl-1-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
CID 59908743
(S)-5-(Isobutyl)imidazolidine-2,4-dione
CID 700302
d-5-Isobutylhydantoin
CID 700303
N-cyclohexyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16293462
H-Pro-Leu-bAla-NH2.HCl
CID 90675110
5-sec-Butylhydantoin
CID 182347
3-Cyclopentyl-5-isopropyl-imidazolidine-2,4-dione
CID 5273848
3-Cyclohexyl-5-isopropylimidazolidine-2,4-dione
CID 5273849

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide (CID 126843298) is N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide is CC(C)C[C@H](NC(=O)N1CCNC1=O)C(=O)NCCC(N)=O.
What is the InChIKey of N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is QSUZCTIEYRHTJE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N5O4/c1-8(2)7-9(11(20)15-4-3-10(14)19)17-13(22)18-6-5-16-12(18)21/h8-9H,3-7H2,1-2H3,(H2,14,19)(H,15,20)(H,16,21)(H,17,22)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide?
N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 126843298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).