(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid

C15H28N2O3 — CID 78976332

IUPAC(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(C)CCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)7-8-17(12-5-6-12)15(20)16-13(14(18)19)9-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyNSENTGWVFBVZHG-CYBMUJFWSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds8

About (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976332) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976332
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(C)CCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)7-8-17(12-5-6-12)15(20)16-13(14(18)19)9-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyNSENTGWVFBVZHG-CYBMUJFWSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976157
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976340
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2R)-5-amino-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830743
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62978014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976332) is (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid is CC(C)CCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CC1.
What is the InChIKey of (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is NSENTGWVFBVZHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)7-8-17(12-5-6-12)15(20)16-13(14(18)19)9-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).