(Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid

C10H15NO3 — CID 67919744

IUPAC(Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
SMILESO=C(O)/C=C\CCNC(=O)CC1CC1
InChIInChI=1S/C10H15NO3/c12-9(7-8-4-5-8)11-6-2-1-3-10(13)14/h1,3,8H,2,4-7H2,(H,11,12)(H,13,14)/b3-1-
InChIKeyZNJAPEJDPKNAHW-IWQZZHSRSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds6

About (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid

(Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid (PubChem CID 67919744) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
PubChem CID67919744
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
SMILESO=C(O)/C=C\CCNC(=O)CC1CC1
InChIInChI=1S/C10H15NO3/c12-9(7-8-4-5-8)11-6-2-1-3-10(13)14/h1,3,8H,2,4-7H2,(H,11,12)(H,13,14)/b3-1-
InChIKeyZNJAPEJDPKNAHW-IWQZZHSRSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
CID 54556243
5-cyclopropylpent-2-enoic acid
CID 150153050
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
2-cyclopropyl-N-pentylacetamide
CID 66755217
N-[(E)-4-chlorobut-2-enyl]-2-cyclopropylacetamide
CID 81431115
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
2-cyclopropyl-N-pent-3-ynylacetamide
CID 104581149
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
2-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 64991981
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
The IUPAC name of (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid (CID 67919744) is (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid.
What is the SMILES notation for (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
The canonical SMILES for (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid is O=C(O)/C=C\CCNC(=O)CC1CC1.
What is the InChIKey of (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
The InChIKey is ZNJAPEJDPKNAHW-IWQZZHSRSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9(7-8-4-5-8)11-6-2-1-3-10(13)14/h1,3,8H,2,4-7H2,(H,11,12)(H,13,14)/b3-1-.
What are the key properties of (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
(Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid is sourced from PubChem (CID 67919744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).