2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid

C12H23NO2 — CID 23221767

IUPAC2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
SMILESCC(NC1CCC(C(C)C)CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)10-4-6-11(7-5-10)13-9(3)12(14)15/h8-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyMFMCVFFRNDZMSC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.26
Rot. Bonds4

About 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid

2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid (PubChem CID 23221767) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
PubChem CID23221767
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
SMILESCC(NC1CCC(C(C)C)CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)10-4-6-11(7-5-10)13-9(3)12(14)15/h8-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyMFMCVFFRNDZMSC-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
N,N-dimethyl-2-[(4-propan-2-ylcyclohexyl)amino]propanamide
CID 55106384
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
2-[(4-pentylcyclohexyl)amino]propanoic acid
CID 174627181
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanoic acid
CID 61499724
(2S)-2-(cyclopropylamino)propanamide
CID 28835909
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid (CID 23221767) is 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid is CC(NC1CCC(C(C)C)CC1)C(=O)O.
What is the InChIKey of 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
The InChIKey is MFMCVFFRNDZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)10-4-6-11(7-5-10)13-9(3)12(14)15/h8-11,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 23221767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).