(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid

C16H26N2O4 — CID 135161209

IUPAC(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid
SMILESC=CCO[C@@H]1CCCN(C(=O)N[C@H](C(=O)O)C2CCCC2)C1
InChIInChI=1S/C16H26N2O4/c1-2-10-22-13-8-5-9-18(11-13)16(21)17-14(15(19)20)12-6-3-4-7-12/h2,12-14H,1,3-11H2,(H,17,21)(H,19,20)/t13-,14+/m1/s1
InChIKeyGSSWSIZNUFCBMV-KGLIPLIRSA-N
MW310.39 g/mol
LogP2.01
Rot. Bonds6

About (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid

(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid (PubChem CID 135161209) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid
PubChem CID135161209
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid
SMILESC=CCO[C@@H]1CCCN(C(=O)N[C@H](C(=O)O)C2CCCC2)C1
InChIInChI=1S/C16H26N2O4/c1-2-10-22-13-8-5-9-18(11-13)16(21)17-14(15(19)20)12-6-3-4-7-12/h2,12-14H,1,3-11H2,(H,17,21)(H,19,20)/t13-,14+/m1/s1
InChIKeyGSSWSIZNUFCBMV-KGLIPLIRSA-N
XLogP2.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid with MolForge

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Related Compounds

N-phenyl-3-prop-2-enoxypiperidine-1-carboxamide
CID 42656426
3-prop-2-enoxypiperidine-1-carboxamide
CID 70254738
methyl (2S)-2-cyclohexyl-4-oxo-4-(3-prop-2-enoxypiperidin-1-yl)butanoate;sulfane
CID 158258526
phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 42656385
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
2-cyclohexyl-2-[(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190973
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 103927834
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305383
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
(3-bromophenyl)-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 46028692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid (CID 135161209) is (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid is C=CCO[C@@H]1CCCN(C(=O)N[C@H](C(=O)O)C2CCCC2)C1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid?
The InChIKey is GSSWSIZNUFCBMV-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-2-10-22-13-8-5-9-18(11-13)16(21)17-14(15(19)20)12-6-3-4-7-12/h2,12-14H,1,3-11H2,(H,17,21)(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid?
(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid has a molecular weight of 310.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 135161209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).