(2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid

C11H16N2O4 — CID 156867785

IUPAC(2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid
SMILESC=CC(=O)NCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-9(14)12-7-10(15)13-6-4-3-5-8(13)11(16)17/h2,8H,1,3-7H2,(H,12,14)(H,16,17)/t8-/m0/s1
InChIKeyYEWNDWVMMDWASN-QMMMGPOBSA-N
MW240.26 g/mol
LogP-0.25
Rot. Bonds4

About (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid

(2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 156867785) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID156867785
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid
SMILESC=CC(=O)NCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-9(14)12-7-10(15)13-6-4-3-5-8(13)11(16)17/h2,8H,1,3-7H2,(H,12,14)(H,16,17)/t8-/m0/s1
InChIKeyYEWNDWVMMDWASN-QMMMGPOBSA-N
XLogP-0.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acrylamidohexanoic acid
CID 22476910
(2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid
CID 66262818
(2S)-2-(methoxycarbonylamino)-6-(prop-2-enoylamino)hexanoic acid
CID 71452150
Crotonyllysine
CID 22838750
Acryloyllysine
CID 53855319
(2S)-6-amino-2-(but-2-enoylamino)hexanoic acid
CID 54183329
(S)-6-Acrylamido-2-aminohexanoic acid
CID 11641210
(2S)-2-[(2-aminoacetyl)amino]-6-(2,5-dioxopyrrol-1-yl)hexanoic acid;2,2,2-trifluoroacetic acid
CID 156171402
2-[(2-Aminoacetyl)amino]-6-(2,5-dioxopyrrol-1-yl)hexanoic acid;2,2,2-trifluoroacetic acid
CID 156171404
(2S)-6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
CID 175290400
(2R)-6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
CID 175290419
2-Amino-6-(prop-2-enoylamino)hexanoic acid
CID 324201

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid (CID 156867785) is (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid is C=CC(=O)NCC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is YEWNDWVMMDWASN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-9(14)12-7-10(15)13-6-4-3-5-8(13)11(16)17/h2,8H,1,3-7H2,(H,12,14)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(prop-2-enoylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 156867785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).