2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid

C11H20N2O3 — CID 13089672

IUPAC2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
SMILESC[C@H](N)C(=O)N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(12)11(16)13(7-10(14)15)9-5-3-2-4-6-9/h8-9H,2-7,12H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyBNFKGGIASQWILM-QMMMGPOBSA-N
MW228.29 g/mol
LogP0.58
Rot. Bonds4

About 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid

2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid (PubChem CID 13089672) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
PubChem CID13089672
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
SMILESC[C@H](N)C(=O)N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(12)11(16)13(7-10(14)15)9-5-3-2-4-6-9/h8-9H,2-7,12H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyBNFKGGIASQWILM-QMMMGPOBSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
CID 79012295
2-[2-aminopropanoyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61161627
2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 54473061
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
2-[5-aminohexanoyl(cyclopentyl)amino]acetic acid
CID 82851549
2-[cycloheptyl-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid;N-cyclohexylcyclohexanamine
CID 54580807
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid
CID 103868808
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid (CID 13089672) is 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid is C[C@H](N)C(=O)N(CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid?
The InChIKey is BNFKGGIASQWILM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(12)11(16)13(7-10(14)15)9-5-3-2-4-6-9/h8-9H,2-7,12H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid?
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid is sourced from PubChem (CID 13089672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).