2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid

C15H26N2O3 — CID 103997560

IUPAC2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
SMILESCC(CNC(=O)NC(C(=O)O)C1CCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-10(11-7-8-11)9-16-15(20)17-13(14(18)19)12-5-3-2-4-6-12/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKTQMGKHHCJUAML-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.37
Rot. Bonds6

About 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid

2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid (PubChem CID 103997560) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
PubChem CID103997560
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
SMILESCC(CNC(=O)NC(C(=O)O)C1CCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-10(11-7-8-11)9-16-15(20)17-13(14(18)19)12-5-3-2-4-6-12/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKTQMGKHHCJUAML-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 25159540
(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-(3-methylpentan-2-ylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 25160334
(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 59187346
(2s)-6-Azanyl-2-[[(2r)-3-Cyclohexyl-1-(3-Methylbutylamino)-1-Oxidanylidene-Propan-2-Yl]carbamoylamino]hexanoic Acid
CID 91799224
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
2-Cyclohexyl-2-(cyclopropylformamido)acetic acid
CID 61013571
N-(cyclohexylcarbamoyl)leucine
CID 4208059
1-{[(Propan-2-yl)carbamoyl]amino}cyclohexane-1-carboxylic acid
CID 16789773
(S)-3-Cyclohexyl-2-(methylamino)propanoic acid
CID 41097900
2-Isopropyl-1-(methylcarbamoylamino)cyclopropanecarboxylic acid
CID 399301
2-Acetamido-2-cyclohexylacetic acid
CID 9794212
3-Cyclohexyl-2-acetamidopropanoic acid
CID 10965857

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid (CID 103997560) is 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid is CC(CNC(=O)NC(C(=O)O)C1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid?
The InChIKey is KTQMGKHHCJUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(11-7-8-11)9-16-15(20)17-13(14(18)19)12-5-3-2-4-6-12/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid?
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid is sourced from PubChem (CID 103997560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).