N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide

C14H27N4O3+ — CID 7075093

IUPACN-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CC[NH2+]CC1)C(=O)NCC(N)=O
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(14(21)17-8-12(15)19)18-13(20)10-3-5-16-6-4-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,21)(H,18,20)/p+1/t11-/m1/s1
InChIKeyGEIFMTUKLPJQFY-LLVKDONJSA-O
MW299.40 g/mol
LogP-1.91
Rot. Bonds7

About N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide

N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide (PubChem CID 7075093) has the molecular formula C14H27N4O3+ and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide
PubChem CID7075093
Molecular FormulaC14H27N4O3+
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC NameN-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CC[NH2+]CC1)C(=O)NCC(N)=O
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(14(21)17-8-12(15)19)18-13(20)10-3-5-16-6-4-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,21)(H,18,20)/p+1/t11-/m1/s1
InChIKeyGEIFMTUKLPJQFY-LLVKDONJSA-O
XLogP-1.91
TPSA117.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
CID 91619283
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]thiolane-2-carboxamide
CID 54253945
(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-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171324514
N-propan-2-ylpiperidin-1-ium-4-carboxamide
CID 7303409
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285
[(4S)-5-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(cyclopropanecarbonylamino)-5-oxopentyl]carbamic acid
CID 138591536
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide?
The IUPAC name of N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide (CID 7075093) is N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide is CC(C)C[C@@H](NC(=O)C1CC[NH2+]CC1)C(=O)NCC(N)=O.
What is the InChIKey of N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide?
The InChIKey is GEIFMTUKLPJQFY-LLVKDONJSA-O. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)7-11(14(21)17-8-12(15)19)18-13(20)10-3-5-16-6-4-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,21)(H,18,20)/p+1/t11-/m1/s1.
What are the key properties of N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide?
N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of -1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7075093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).