(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid

C8H13NO4 — CID 80747756

IUPAC(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H13NO4/c1-4-2-5(4)7(11)9-6(3-10)8(12)13/h4-6,10H,2-3H2,1H3,(H,9,11)(H,12,13)/t4?,5?,6-/m1/s1
InChIKeyZJBINHWQWYSCCN-JMMWHDCWSA-N
MW187.19 g/mol
LogP-0.80
Rot. Bonds4

About (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 80747756) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID80747756
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H13NO4/c1-4-2-5(4)7(11)9-6(3-10)8(12)13/h4-6,10H,2-3H2,1H3,(H,9,11)(H,12,13)/t4?,5?,6-/m1/s1
InChIKeyZJBINHWQWYSCCN-JMMWHDCWSA-N
XLogP-0.80
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824797
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581
(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
CID 65156844
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
3-fluoro-2-[(2-methylcyclohexanecarbonyl)amino]propanoic acid
CID 122129414

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (CID 80747756) is (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid is CC1CC1C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is ZJBINHWQWYSCCN-JMMWHDCWSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4-2-5(4)7(11)9-6(3-10)8(12)13/h4-6,10H,2-3H2,1H3,(H,9,11)(H,12,13)/t4?,5?,6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 80747756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).