(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid

C11H19NO3 — CID 61136657

IUPAC(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(2)5-9(11(14)15)12-10(13)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyAYJVTJUSWKZFHP-VIFPVBQESA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds6

About (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid

(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid (PubChem CID 61136657) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
PubChem CID61136657
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(2)5-9(11(14)15)12-10(13)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyAYJVTJUSWKZFHP-VIFPVBQESA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 21179604
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
CID 61155871
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63306811
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
(2S)-2-[[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119361412
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
(2S)-2-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119360995

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid (CID 61136657) is (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)CC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid?
The InChIKey is AYJVTJUSWKZFHP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)5-9(11(14)15)12-10(13)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid?
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61136657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).