(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C11H20N4O4 — CID 61403013

IUPAC(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)N1CCC(N)CC1)C(=O)O
InChIInChI=1S/C11H20N4O4/c12-7-3-5-15(6-4-7)11(19)14-8(10(17)18)1-2-9(13)16/h7-8H,1-6,12H2,(H2,13,16)(H,14,19)(H,17,18)/t8-/m0/s1
InChIKeyPPLOEBUOSZLXMC-QMMMGPOBSA-N
MW272.31 g/mol
LogP-1.16
Rot. Bonds5

About (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 61403013) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID61403013
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)N1CCC(N)CC1)C(=O)O
InChIInChI=1S/C11H20N4O4/c12-7-3-5-15(6-4-7)11(19)14-8(10(17)18)1-2-9(13)16/h7-8H,1-6,12H2,(H2,13,16)(H,14,19)(H,17,18)/t8-/m0/s1
InChIKeyPPLOEBUOSZLXMC-QMMMGPOBSA-N
XLogP-1.16
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 61196853
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830632
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419
(2S)-5-amino-2-[(3-ethylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 113418287
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 55029823
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
(2R)-5-amino-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831204

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 61403013) is (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)N1CCC(N)CC1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is PPLOEBUOSZLXMC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N4O4/c12-7-3-5-15(6-4-7)11(19)14-8(10(17)18)1-2-9(13)16/h7-8H,1-6,12H2,(H2,13,16)(H,14,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 272.31 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61403013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).