(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid

C9H15NO3 — CID 102242630

IUPAC(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-5-7(9(12)13)10-8(11)6(2)3/h7H,2,4-5H2,1,3H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyIGCYERMXSQAHIU-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.93
Rot. Bonds5

About (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid

(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid (PubChem CID 102242630) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
PubChem CID102242630
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-5-7(9(12)13)10-8(11)6(2)3/h7H,2,4-5H2,1,3H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyIGCYERMXSQAHIU-SSDOTTSWSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid
CID 107562969
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
CID 175297760
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid
CID 152515110
(2S)-2-(3-methylbut-2-enoylamino)pentanoic acid
CID 107564530
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid
CID 107567629
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid (CID 102242630) is (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid is C=C(C)C(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid?
The InChIKey is IGCYERMXSQAHIU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-7(9(12)13)10-8(11)6(2)3/h7H,2,4-5H2,1,3H3,(H,10,11)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid?
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylprop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 102242630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).