(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid

C17H32N2O4 — CID 118008390

IUPAC(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
SMILESC[C@H](NC1CCCC1)C(=O)O.C[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.C8H15NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-6(8(10)11)9-7-4-2-3-5-7/h7-8,10H,2-6H2,1H3,(H,11,12);6-7,9H,2-5H2,1H3,(H,10,11)/t7-;6-/m00/s1
InChIKeyDRQIJLDYMGEUTF-KSTOEEEWSA-N
MW328.45 g/mol
LogP2.37
Rot. Bonds6

About (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid

(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid (PubChem CID 118008390) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
PubChem CID118008390
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
SMILESC[C@H](NC1CCCC1)C(=O)O.C[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.C8H15NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-6(8(10)11)9-7-4-2-3-5-7/h7-8,10H,2-6H2,1H3,(H,11,12);6-7,9H,2-5H2,1H3,(H,10,11)/t7-;6-/m00/s1
InChIKeyDRQIJLDYMGEUTF-KSTOEEEWSA-N
XLogP2.37
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 67882155
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865
2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 69297250
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanoic acid
CID 61499724
2-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64624206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid?
The IUPAC name of (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid (CID 118008390) is (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid?
The canonical SMILES for (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid is C[C@H](NC1CCCC1)C(=O)O.C[C@H](NC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid?
The InChIKey is DRQIJLDYMGEUTF-KSTOEEEWSA-N. The full InChI is InChI=1S/C9H17NO2.C8H15NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-6(8(10)11)9-7-4-2-3-5-7/h7-8,10H,2-6H2,1H3,(H,11,12);6-7,9H,2-5H2,1H3,(H,10,11)/t7-;6-/m00/s1.
What are the key properties of (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid?
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid has a molecular weight of 328.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid is sourced from PubChem (CID 118008390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).