(2R)-2-(butanoylamino)pentanoic acid

C9H17NO3 — CID 107562849

IUPAC(2R)-2-(butanoylamino)pentanoic acid
SMILESCCCC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-5-7(9(12)13)10-8(11)6-4-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyMJLNBPDPCRTWAC-SSDOTTSWSA-N
MW187.24 g/mol
LogP1.16
Rot. Bonds6

About (2R)-2-(butanoylamino)pentanoic acid

(2R)-2-(butanoylamino)pentanoic acid (PubChem CID 107562849) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-2-(butanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(butanoylamino)pentanoic acid
PubChem CID107562849
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R)-2-(butanoylamino)pentanoic acid
SMILESCCCC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-5-7(9(12)13)10-8(11)6-4-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyMJLNBPDPCRTWAC-SSDOTTSWSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(butanoylamino)-4-methylselanylbutanoic acid
CID 89313972
3-(butanoylamino)-2-oxohexanoic acid
CID 57033030
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
CID 107565213
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43631087
(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
5-(1-carboxybutylamino)-2-(icosanoylamino)-5-oxopentanoic acid
CID 58954563
2-(butanoylamino)butanedioic acid;zinc
CID 174973870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(butanoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(butanoylamino)pentanoic acid (CID 107562849) is (2R)-2-(butanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(butanoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(butanoylamino)pentanoic acid is CCCC(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-(butanoylamino)pentanoic acid?
The InChIKey is MJLNBPDPCRTWAC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-7(9(12)13)10-8(11)6-4-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(butanoylamino)pentanoic acid?
(2R)-2-(butanoylamino)pentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(butanoylamino)pentanoic acid is sourced from PubChem (CID 107562849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).