3-[bis(2-methylpropyl)carbamoylamino]propanoic acid

C12H24N2O3 — CID 61378500

IUPAC3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)C(=O)NCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)7-14(8-10(3)4)12(17)13-6-5-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyOUQBYTMFKYHZPR-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds7

About 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid

3-[bis(2-methylpropyl)carbamoylamino]propanoic acid (PubChem CID 61378500) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
PubChem CID61378500
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
SMILESCC(C)CN(CC(C)C)C(=O)NCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)7-14(8-10(3)4)12(17)13-6-5-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyOUQBYTMFKYHZPR-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2,2-dimethylpropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 122022173
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466543
3-[bis(2,2-dimethylpropyl)carbamoylamino]propanoic acid
CID 122017989
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
CID 60546714
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066342
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 113327921
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid (CID 61378500) is 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid is CC(C)CN(CC(C)C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid?
The InChIKey is OUQBYTMFKYHZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)7-14(8-10(3)4)12(17)13-6-5-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid?
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61378500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).