4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid

C15H30N2O3 — CID 62049660

IUPAC4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CN(CC(C)C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)9-17(10-12(3)4)14(20)16-15(5,6)8-7-13(18)19/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyVIKFCASEEOUGIO-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.95
Rot. Bonds8

About 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid

4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 62049660) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID62049660
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CN(CC(C)C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)9-17(10-12(3)4)14(20)16-15(5,6)8-7-13(18)19/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyVIKFCASEEOUGIO-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 62921763
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
CID 62048697
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methylpentanoic acid
CID 62049082
4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107482030
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
4-methyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 112662782

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid (CID 62049660) is 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid is CC(C)CN(CC(C)C)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is VIKFCASEEOUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)9-17(10-12(3)4)14(20)16-15(5,6)8-7-13(18)19/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19).
What are the key properties of 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid?
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62049660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).