2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea

C14H30N2O3 — CID 88699422

IUPAC2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
SMILESCC(C)C(=O)O.CCCNC(=O)N(CCC)C(C)C
InChIInChI=1S/C10H22N2O.C4H8O2/c1-5-7-11-10(13)12(8-6-2)9(3)4;1-3(2)4(5)6/h9H,5-8H2,1-4H3,(H,11,13);3H,1-2H3,(H,5,6)
InChIKeyYCAYUGVVRSBVMV-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.95
Rot. Bonds6

About 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea

2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea (PubChem CID 88699422) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea.

Molecular Properties

Compound Name2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
PubChem CID88699422
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
SMILESCC(C)C(=O)O.CCCNC(=O)N(CCC)C(C)C
InChIInChI=1S/C10H22N2O.C4H8O2/c1-5-7-11-10(13)12(8-6-2)9(3)4;1-3(2)4(5)6/h9H,5-8H2,1-4H3,(H,11,13);3H,1-2H3,(H,5,6)
InChIKeyYCAYUGVVRSBVMV-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
2-methyl-4-[[pentyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 80541783
1-propan-2-yl-1-prop-2-enyl-3-propylurea
CID 115585837
1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
1-[[[propan-2-yl(propyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444699
1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea
CID 63765781
4-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007357
4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
CID 62048697
2-[2-[butan-2-yl(methyl)amino]ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 114134222
(2S)-2-hydroxy-3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 107839205
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea?
The IUPAC name of 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea (CID 88699422) is 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea.
What is the SMILES notation for 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea?
The canonical SMILES for 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea is CC(C)C(=O)O.CCCNC(=O)N(CCC)C(C)C.
What is the InChIKey of 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea?
The InChIKey is YCAYUGVVRSBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C4H8O2/c1-5-7-11-10(13)12(8-6-2)9(3)4;1-3(2)4(5)6/h9H,5-8H2,1-4H3,(H,11,13);3H,1-2H3,(H,5,6).
What are the key properties of 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea?
2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea has a molecular weight of 274.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea is sourced from PubChem (CID 88699422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).