2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid

C13H24N2O3 — CID 107145977

IUPAC2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
SMILESCCCC[C@H](N)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-11(14)13(18)15-7-5-10(6-8-15)9-12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyIQKVWDXVVQLKSU-NSHDSACASA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds6

About 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid

2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid (PubChem CID 107145977) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
PubChem CID107145977
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
SMILESCCCC[C@H](N)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-11(14)13(18)15-7-5-10(6-8-15)9-12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyIQKVWDXVVQLKSU-NSHDSACASA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid (CID 107145977) is 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid is CCCC[C@H](N)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid?
The InChIKey is IQKVWDXVVQLKSU-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-4-11(14)13(18)15-7-5-10(6-8-15)9-12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid?
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 107145977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).