(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid

C15H30N2O3 — CID 107567309

IUPAC(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid
SMILESCCCCCC(C)(C)CNC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-7-8-10-15(3,4)11-16-14(20)17-12(9-6-2)13(18)19/h12H,5-11H2,1-4H3,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyYWYYNBRXMCNYBW-GFCCVEGCSA-N
MW286.42 g/mol
LogP3.15
Rot. Bonds10

About (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid

(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid (PubChem CID 107567309) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid
PubChem CID107567309
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid
SMILESCCCCCC(C)(C)CNC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-7-8-10-15(3,4)11-16-14(20)17-12(9-6-2)13(18)19/h12H,5-11H2,1-4H3,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyYWYYNBRXMCNYBW-GFCCVEGCSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
(2S)-2-[(2-methyl-2-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 107567623
2-(2,2-dimethylheptylamino)hexanoic acid
CID 103259108
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
(2S)-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]hexanoic acid
CID 107146129
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid
CID 113498388
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid (CID 107567309) is (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid is CCCCCC(C)(C)CNC(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid?
The InChIKey is YWYYNBRXMCNYBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-7-8-10-15(3,4)11-16-14(20)17-12(9-6-2)13(18)19/h12H,5-11H2,1-4H3,(H,18,19)(H2,16,17,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid?
(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.15, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107567309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).