(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C11H20N4O4 — CID 107830632

IUPAC(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)N1CCCC(N)C1)C(=O)O
InChIInChI=1S/C11H20N4O4/c12-7-2-1-5-15(6-7)11(19)14-8(10(17)18)3-4-9(13)16/h7-8H,1-6,12H2,(H2,13,16)(H,14,19)(H,17,18)/t7?,8-/m1/s1
InChIKeyGDYNYRGPGQDNKR-BRFYHDHCSA-N
MW272.31 g/mol
LogP-1.16
Rot. Bonds5

About (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107830632) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107830632
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)N1CCCC(N)C1)C(=O)O
InChIInChI=1S/C11H20N4O4/c12-7-2-1-5-15(6-7)11(19)14-8(10(17)18)3-4-9(13)16/h7-8H,1-6,12H2,(H2,13,16)(H,14,19)(H,17,18)/t7?,8-/m1/s1
InChIKeyGDYNYRGPGQDNKR-BRFYHDHCSA-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

(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
(2S)-5-amino-2-[(3-ethylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 113418287
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992
2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 55029823
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305241
(2R)-5-amino-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831204
(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
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560861
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560943
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 107830632) is (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)N1CCCC(N)C1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is GDYNYRGPGQDNKR-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H20N4O4/c12-7-2-1-5-15(6-7)11(19)14-8(10(17)18)3-4-9(13)16/h7-8H,1-6,12H2,(H2,13,16)(H,14,19)(H,17,18)/t7?,8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(3-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 (2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).