N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride

C12H23ClN4O3 — CID 91619283

IUPACN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
SMILESCC(C)C[C@H](NC(=O)C1CCN1)C(=O)NCC(N)=O.Cl
InChIInChI=1S/C12H22N4O3.ClH/c1-7(2)5-9(11(18)15-6-10(13)17)16-12(19)8-3-4-14-8;/h7-9,14H,3-6H2,1-2H3,(H2,13,17)(H,15,18)(H,16,19);1H/t8?,9-;/m0./s1
InChIKeyBVBWTGBNNNAGHL-MTFPJWTKSA-N
MW306.79 g/mol
LogP-1.10
Rot. Bonds7

About N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride

N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride (PubChem CID 91619283) has the molecular formula C12H23ClN4O3 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
PubChem CID91619283
Molecular FormulaC12H23ClN4O3
Molecular Weight306.79 g/mol
Exact Mass306.15
IUPAC NameN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
SMILESCC(C)C[C@H](NC(=O)C1CCN1)C(=O)NCC(N)=O.Cl
InChIInChI=1S/C12H22N4O3.ClH/c1-7(2)5-9(11(18)15-6-10(13)17)16-12(19)8-3-4-14-8;/h7-9,14H,3-6H2,1-2H3,(H2,13,17)(H,15,18)(H,16,19);1H/t8?,9-;/m0./s1
InChIKeyBVBWTGBNNNAGHL-MTFPJWTKSA-N
XLogP-1.10
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride with MolForge

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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-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171324514
N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide
CID 7075093
(2R)-N-(2-amino-2-oxoethyl)azetidine-2-carboxamide;hydrochloride
CID 130742026
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]thiolane-2-carboxamide
CID 54253945
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-[(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)-N-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]pyrrolidine-2-carboxamide
CID 71352515
(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 10497377
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride (CID 91619283) is N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride is CC(C)C[C@H](NC(=O)C1CCN1)C(=O)NCC(N)=O.Cl.
What is the InChIKey of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride?
The InChIKey is BVBWTGBNNNAGHL-MTFPJWTKSA-N. The full InChI is InChI=1S/C12H22N4O3.ClH/c1-7(2)5-9(11(18)15-6-10(13)17)16-12(19)8-3-4-14-8;/h7-9,14H,3-6H2,1-2H3,(H2,13,17)(H,15,18)(H,16,19);1H/t8?,9-;/m0./s1.
What are the key properties of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride?
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of -1.10, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 91619283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).