(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid

C9H18N2O2 — CID 67723227

IUPAC(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
SMILESC[C@](N)(C(=O)O)C1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h6-7H,2-5,10-11H2,1H3,(H,12,13)/t6?,7?,9-/m1/s1
InChIKeyRWZXAOMRATYCSJ-QXUHLLMWSA-N
MW186.25 g/mol
LogP0.31
Rot. Bonds2

About (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid

(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid (PubChem CID 67723227) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
PubChem CID67723227
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
SMILESC[C@](N)(C(=O)O)C1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h6-7H,2-5,10-11H2,1H3,(H,12,13)/t6?,7?,9-/m1/s1
InChIKeyRWZXAOMRATYCSJ-QXUHLLMWSA-N
XLogP0.31
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
CID 70289577
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
CID 82602342
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
2-amino-N-(4-aminocyclohexyl)-2-methylpropanamide
CID 62319991
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 61162345
2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid
CID 83695508
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819366
3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
CID 116558426
carbonic acid;cyclopropanamine
CID 70000861
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid (CID 67723227) is (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid is C[C@](N)(C(=O)O)C1CCC(N)CC1.
What is the InChIKey of (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid?
The InChIKey is RWZXAOMRATYCSJ-QXUHLLMWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h6-7H,2-5,10-11H2,1H3,(H,12,13)/t6?,7?,9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid?
(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid is sourced from PubChem (CID 67723227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).