4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

C12H24N2O4 — CID 66001198

IUPAC4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCCCN(CCC)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-6-14(7-5-2)11(17)13-9-12(3,18)8-10(15)16/h18H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyPFUFREXBSNUTOT-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.04
Rot. Bonds8

About 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001198) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
PubChem CID66001198
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCCCN(CCC)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-6-14(7-5-2)11(17)13-9-12(3,18)8-10(15)16/h18H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyPFUFREXBSNUTOT-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002009
3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 66002629
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002836
4-(3-ethylpentan-3-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003041
4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 79811934
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (CID 66001198) is 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is CCCN(CCC)C(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The InChIKey is PFUFREXBSNUTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-6-14(7-5-2)11(17)13-9-12(3,18)8-10(15)16/h18H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).