(2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide

C13H23N7O2 — CID 71352515

IUPAC(2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C13H23N7O2/c1-8(2)6-10(16-13(22)9-4-3-5-14-9)12(21)15-7-11-17-19-20-18-11/h8-10,14H,3-7H2,1-2H3,(H,15,21)(H,16,22)(H,17,18,19,20)/t9-,10-/m0/s1
InChIKeyFYNBDUNWCJLCQV-UWVGGRQHSA-N
MW309.37 g/mol
LogP-0.90
Rot. Bonds7

About (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 71352515) has the molecular formula C13H23N7O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID71352515
Molecular FormulaC13H23N7O2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name(2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C13H23N7O2/c1-8(2)6-10(16-13(22)9-4-3-5-14-9)12(21)15-7-11-17-19-20-18-11/h8-10,14H,3-7H2,1-2H3,(H,15,21)(H,16,22)(H,17,18,19,20)/t9-,10-/m0/s1
InChIKeyFYNBDUNWCJLCQV-UWVGGRQHSA-N
XLogP-0.90
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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
(2S)-N-[(2S)-4-methyl-1-(octadecylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102062594
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171324514
(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 145457511
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
CID 91619283
(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 10497377
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoic acid
CID 24896838
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 145457574
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide (CID 71352515) is (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCc1nn[nH]n1.
What is the InChIKey of (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FYNBDUNWCJLCQV-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H23N7O2/c1-8(2)6-10(16-13(22)9-4-3-5-14-9)12(21)15-7-11-17-19-20-18-11/h8-10,14H,3-7H2,1-2H3,(H,15,21)(H,16,22)(H,17,18,19,20)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71352515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).