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

C11H19NO3 — CID 107562969

IUPAC(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid
SMILESCCC=C(C)C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-8(3)10(13)12-9(7-5-2)11(14)15/h6,9H,4-5,7H2,1-3H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyVZEOWRVIPADUNU-SECBINFHSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds6

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

(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid (PubChem CID 107562969) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid
PubChem CID107562969
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid
SMILESCCC=C(C)C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-8(3)10(13)12-9(7-5-2)11(14)15/h6,9H,4-5,7H2,1-3H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyVZEOWRVIPADUNU-SECBINFHSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
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

(2S)-5-methoxy-2-[[(Z)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid
CID 114004611
4-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid
CID 24703550
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
5-amino-2-[[(E)-2-methylhex-2-enoyl]amino]-5-oxopentanoic acid
CID 90240667
4-(2-methylpent-2-enoylamino)pentanoic acid
CID 77016913
(2S)-5-amino-2-(2-methylundec-2-enoylamino)-5-oxopentanoic acid
CID 90241030
(2S)-2-(3-methylbut-2-enoylamino)pentanoic acid
CID 107564530
(2S)-2-(2-methylbut-2-enoylamino)pentanedioic acid
CID 90258281
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2R)-2-(oxidoamino)pentanoic acid
CID 141472977
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid (CID 107562969) is (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid is CCC=C(C)C(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid?
The InChIKey is VZEOWRVIPADUNU-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-8(3)10(13)12-9(7-5-2)11(14)15/h6,9H,4-5,7H2,1-3H3,(H,12,13)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid?
(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpent-2-enoylamino)pentanoic acid is sourced from PubChem (CID 107562969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).