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

C14H24N2O5 — CID 107145229

IUPAC(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C(=O)OC)CC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-4-5-11(12(17)18)15-14(20)16-8-6-10(7-9-16)13(19)21-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,17,18)/t11-/m0/s1
InChIKeyQMSQUAGWPRBHDK-NSHDSACASA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds6

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

(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 107145229) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID107145229
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C(=O)OC)CC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-4-5-11(12(17)18)15-14(20)16-8-6-10(7-9-16)13(19)21-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,17,18)/t11-/m0/s1
InChIKeyQMSQUAGWPRBHDK-NSHDSACASA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61193645
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
(2S)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]hexanoic acid
CID 107145663
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid (CID 107145229) is (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCC(C(=O)OC)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is QMSQUAGWPRBHDK-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-4-5-11(12(17)18)15-14(20)16-8-6-10(7-9-16)13(19)21-2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid?
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107145229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).