(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid

C14H23NO4 — CID 59584889

IUPAC(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid
SMILESC=CCC(C)COC(=O)N[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C14H23NO4/c1-3-6-10(2)9-19-14(18)15-12(13(16)17)11-7-4-5-8-11/h3,10-12H,1,4-9H2,2H3,(H,15,18)(H,16,17)/t10?,12-/m0/s1
InChIKeyMFEGFLIWJOPKBL-KFJBMODSSA-N
MW269.34 g/mol
LogP2.57
Rot. Bonds7

About (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid

(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid (PubChem CID 59584889) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid
PubChem CID59584889
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid
SMILESC=CCC(C)COC(=O)N[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C14H23NO4/c1-3-6-10(2)9-19-14(18)15-12(13(16)17)11-7-4-5-8-11/h3,10-12H,1,4-9H2,2H3,(H,15,18)(H,16,17)/t10?,12-/m0/s1
InChIKeyMFEGFLIWJOPKBL-KFJBMODSSA-N
XLogP2.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-cyclohexyl-2-[[(2R)-2-methylpent-4-enoxy]carbonylamino]acetic acid
CID 59279898
2-cyclohexyl-2-(hex-5-enoxycarbonylamino)acetic acid
CID 66781911
2-cyclohexyl-2-(hept-6-enoxycarbonylamino)acetic acid
CID 66782617
(2S)-2-cyclohexyl-2-[[(1R,2R)-2-prop-2-enoxycyclopentyl]oxycarbonylamino]acetic acid
CID 68664954
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
(2S)-2-cyclopentyl-2-[[(1R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid
CID 118983364
2-[[1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]pent-4-enoic acid
CID 143688986
(2S)-2-[[(1R,2S)-2-but-3-enyl-1-methylcyclopentyl]oxycarbonylamino]-2-cyclopentylacetic acid
CID 66828478
(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]pent-4-enoic acid
CID 89390569
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
2-(2-but-3-enoxypropanoylamino)-2-cyclopropylacetic acid
CID 119213547
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-2-(prop-2-enoxycarbonylamino)acetic acid
CID 167720188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid (CID 59584889) is (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid is C=CCC(C)COC(=O)N[C@H](C(=O)O)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
The InChIKey is MFEGFLIWJOPKBL-KFJBMODSSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-6-10(2)9-19-14(18)15-12(13(16)17)11-7-4-5-8-11/h3,10-12H,1,4-9H2,2H3,(H,15,18)(H,16,17)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
(2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid has a molecular weight of 269.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-(2-methylpent-4-enoxycarbonylamino)acetic acid is sourced from PubChem (CID 59584889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).