4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid

C15H30N2O3 — CID 83143719

IUPAC4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)NCC(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)7-12(13(18)19)9-17-14(20)16-8-11(3)15(4,5)6/h10-12H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyOCBLCZOIBLMUFA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.71
Rot. Bonds7

About 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid

4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid (PubChem CID 83143719) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
PubChem CID83143719
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)NCC(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)7-12(13(18)19)9-17-14(20)16-8-11(3)15(4,5)6/h10-12H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyOCBLCZOIBLMUFA-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid
CID 83113400
4-methyl-2-[(3-methylsulfinylpropylcarbamoylamino)methyl]pentanoic acid
CID 113488013
4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
CID 120688025
2-[(2-ethylhexylcarbamoylamino)methyl]-4-methylpentanoic acid
CID 107817347
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
1-(2,2,2-trifluoroethyl)-3-(2,3,3-trimethylbutyl)urea
CID 115629640
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
4-(2,3,3-trimethylbutylcarbamoylamino)butanoic acid
CID 83143236
2-[[(3-methoxy-3-methylbutanoyl)amino]methyl]-4-methylpentanoic acid
CID 103019000
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
2-[(4,4-dimethylpentan-2-ylamino)methyl]-4-methylpentanoic acid
CID 122128173
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid (CID 83143719) is 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid is CC(C)CC(CNC(=O)NCC(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is OCBLCZOIBLMUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(2)7-12(13(18)19)9-17-14(20)16-8-11(3)15(4,5)6/h10-12H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid?
4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 83143719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).