(2S)-3-cyclopropyl-2-formamidopropanoic acid

C7H11NO3 — CID 130520889

IUPAC(2S)-3-cyclopropyl-2-formamidopropanoic acid
SMILESO=CN[C@@H](CC1CC1)C(=O)O
InChIInChI=1S/C7H11NO3/c9-4-8-6(7(10)11)3-5-1-2-5/h4-6H,1-3H2,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyBXIHGFRODHUJJE-LURJTMIESA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds5

About (2S)-3-cyclopropyl-2-formamidopropanoic acid

(2S)-3-cyclopropyl-2-formamidopropanoic acid (PubChem CID 130520889) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-formamidopropanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-formamidopropanoic acid
PubChem CID130520889
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S)-3-cyclopropyl-2-formamidopropanoic acid
SMILESO=CN[C@@H](CC1CC1)C(=O)O
InChIInChI=1S/C7H11NO3/c9-4-8-6(7(10)11)3-5-1-2-5/h4-6H,1-3H2,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyBXIHGFRODHUJJE-LURJTMIESA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyl-2-formamido-4-oxobutanoic acid
CID 104749770
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
2-formamido-3-[4-(oxan-4-yl)butylsulfanyl]propanoic acid
CID 114191275
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
2-formamido-4-(4-methylcyclohexyl)sulfanylbutanoic acid
CID 64749299
(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2S)-3-(4-fluorocyclohexyl)-2-methylpropanoic acid
CID 170263321
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid
CID 113354348
2-(2-carboxy-2-formamidoethyl)sulfanylbutanoic acid
CID 64663169
2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid
CID 65212646

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-formamidopropanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-formamidopropanoic acid (CID 130520889) is (2S)-3-cyclopropyl-2-formamidopropanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-formamidopropanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-formamidopropanoic acid is O=CN[C@@H](CC1CC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclopropyl-2-formamidopropanoic acid?
The InChIKey is BXIHGFRODHUJJE-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO3/c9-4-8-6(7(10)11)3-5-1-2-5/h4-6H,1-3H2,(H,8,9)(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-formamidopropanoic acid?
(2S)-3-cyclopropyl-2-formamidopropanoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-formamidopropanoic acid is sourced from PubChem (CID 130520889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).