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

C12H23N3O3 — CID 107145596

IUPAC(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(N)CC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-3-4-10(11(16)17)14-12(18)15-7-5-9(13)6-8-15/h9-10H,2-8,13H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyQUQDUAXGQXENCJ-JTQLQIEISA-N
MW257.33 g/mol
LogP0.76
Rot. Bonds5

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

(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 107145596) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID107145596
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(N)CC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-3-4-10(11(16)17)14-12(18)15-7-5-9(13)6-8-15/h9-10H,2-8,13H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyQUQDUAXGQXENCJ-JTQLQIEISA-N
XLogP0.76
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
(2S)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]hexanoic acid
CID 107145663
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid (CID 107145596) is (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCC(N)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is QUQDUAXGQXENCJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-3-4-10(11(16)17)14-12(18)15-7-5-9(13)6-8-15/h9-10H,2-8,13H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid?
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107145596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).