(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide

C15H28N4O4 — CID 122467366

IUPAC(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide
SMILESCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCNC1)C(C)O
InChIInChI=1S/C15H28N4O4/c1-9(20)12(5-6-16)18-15(23)13(10(2)21)19-14(22)11-4-3-7-17-8-11/h10-13,17,21H,3-8,16H2,1-2H3,(H,18,23)(H,19,22)/t10?,11-,12+,13+/m1/s1
InChIKeyHBRUZFYXMWLUEE-JUIFTKJUSA-N
MW328.41 g/mol
LogP-1.73
Rot. Bonds8

About (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide

(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide (PubChem CID 122467366) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide
PubChem CID122467366
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide
SMILESCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCNC1)C(C)O
InChIInChI=1S/C15H28N4O4/c1-9(20)12(5-6-16)18-15(23)13(10(2)21)19-14(22)11-4-3-7-17-8-11/h10-13,17,21H,3-8,16H2,1-2H3,(H,18,23)(H,19,22)/t10?,11-,12+,13+/m1/s1
InChIKeyHBRUZFYXMWLUEE-JUIFTKJUSA-N
XLogP-1.73
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[(2S)-4-amino-1-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 139469267
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide
CID 170281932
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-[(2S,3S)-1-[[(4S)-1-amino-6-methyl-5-oxoheptan-4-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-5-cyclohexylpiperidine-3-carboxamide
CID 166658765
(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide
CID 154935037
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3R,5S)-5-N-[(2S,3S)-1-[[(2S)-1-amino-3-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-3-N-benzylpiperidine-3,5-dicarboxamide
CID 126693556
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
N-[(2S,3S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-octylpiperidine-3-carboxamide
CID 144918102
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide (CID 122467366) is (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide is CC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCNC1)C(C)O.
What is the InChIKey of (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide?
The InChIKey is HBRUZFYXMWLUEE-JUIFTKJUSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-9(20)12(5-6-16)18-15(23)13(10(2)21)19-14(22)11-4-3-7-17-8-11/h10-13,17,21H,3-8,16H2,1-2H3,(H,18,23)(H,19,22)/t10?,11-,12+,13+/m1/s1.
What are the key properties of (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide?
(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of -1.73, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 122467366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).