2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid

C12H19NO4 — CID 93332934

IUPAC2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CC[C@@H]1CCCO1)C1CC1
InChIInChI=1S/C12H19NO4/c14-11(6-5-10-2-1-7-17-10)13(8-12(15)16)9-3-4-9/h9-10H,1-8H2,(H,15,16)/t10-/m0/s1
InChIKeyVZQBMUGJHJMNAZ-JTQLQIEISA-N
MW241.29 g/mol
LogP1.02
Rot. Bonds6

About 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid

2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid (PubChem CID 93332934) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
PubChem CID93332934
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CC[C@@H]1CCCO1)C1CC1
InChIInChI=1S/C12H19NO4/c14-11(6-5-10-2-1-7-17-10)13(8-12(15)16)9-3-4-9/h9-10H,1-8H2,(H,15,16)/t10-/m0/s1
InChIKeyVZQBMUGJHJMNAZ-JTQLQIEISA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
N-(2-aminoethyl)-N-cyclobutyl-3-(oxolan-2-yl)propanamide
CID 102874215
N-(2-aminoethyl)-N-cyclopropyl-3-(oxan-2-yl)propanamide
CID 63952702
N-(2-amino-2-oxoethyl)-3-(oxolan-2-yl)-N-piperidin-3-ylpropanamide
CID 65156815
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
N-(3-aminopropyl)-N-cyclohexyl-3-(oxolan-2-yl)propanamide
CID 65152218
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 78860233
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxolan-2-yl)propanoyl]amino]acetic acid
CID 119197613

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid (CID 93332934) is 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CC[C@@H]1CCCO1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid?
The InChIKey is VZQBMUGJHJMNAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(6-5-10-2-1-7-17-10)13(8-12(15)16)9-3-4-9/h9-10H,1-8H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid is sourced from PubChem (CID 93332934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).