2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid

C8H13NO4 — CID 104711277

IUPAC2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid
SMILESCC(=O)N(C1CC1)C(CO)C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(11)9(6-2-3-6)7(4-10)8(12)13/h6-7,10H,2-4H2,1H3,(H,12,13)
InChIKeyVBSPSTGVAKMORL-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.56
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid

2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid (PubChem CID 104711277) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid
PubChem CID104711277
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid
SMILESCC(=O)N(C1CC1)C(CO)C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(11)9(6-2-3-6)7(4-10)8(12)13/h6-7,10H,2-4H2,1H3,(H,12,13)
InChIKeyVBSPSTGVAKMORL-UHFFFAOYSA-N
XLogP-0.56
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid (CID 104711277) is 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid is CC(=O)N(C1CC1)C(CO)C(=O)O.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid?
The InChIKey is VBSPSTGVAKMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(11)9(6-2-3-6)7(4-10)8(12)13/h6-7,10H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid?
2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 104711277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).