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

C14H26N2O4 — CID 107146710

IUPAC(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-5-12(13(18)19)15-14(20)16-8-6-11(7-9-16)10(2)17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,12-/m0/s1
InChIKeyDJBNQKJAEYZQMD-KFJBMODSSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds6

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

(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid (PubChem CID 107146710) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
PubChem CID107146710
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-5-12(13(18)19)15-14(20)16-8-6-11(7-9-16)10(2)17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,12-/m0/s1
InChIKeyDJBNQKJAEYZQMD-KFJBMODSSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 103942890
(2S)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]hexanoic acid
CID 107145663
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid (CID 107146710) is (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCC(C(C)O)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid?
The InChIKey is DJBNQKJAEYZQMD-KFJBMODSSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-5-12(13(18)19)15-14(20)16-8-6-11(7-9-16)10(2)17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid?
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 107146710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).