2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid

C8H13NO4 — CID 145435288

IUPAC2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid
SMILESC[C@@H](O)C1(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H13NO4/c1-5(10)8(2-3-8)7(13)9-4-6(11)12/h5,10H,2-4H2,1H3,(H,9,13)(H,11,12)/t5-/m1/s1
InChIKeyZSCAFSIEOCNFHI-RXMQYKEDSA-N
MW187.19 g/mol
LogP-0.65
Rot. Bonds4

About 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid

2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid (PubChem CID 145435288) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid
PubChem CID145435288
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid
SMILESC[C@@H](O)C1(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H13NO4/c1-5(10)8(2-3-8)7(13)9-4-6(11)12/h5,10H,2-4H2,1H3,(H,9,13)(H,11,12)/t5-/m1/s1
InChIKeyZSCAFSIEOCNFHI-RXMQYKEDSA-N
XLogP-0.65
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 ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 68999062
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid
CID 119352836
2-[(1-acetamidocyclopropanecarbonyl)amino]acetic acid
CID 167721509
[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium
CID 145330840
2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid
CID 65466641
2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid
CID 135255076
2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 119349974
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid (CID 145435288) is 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid is C[C@@H](O)C1(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is ZSCAFSIEOCNFHI-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(10)8(2-3-8)7(13)9-4-6(11)12/h5,10H,2-4H2,1H3,(H,9,13)(H,11,12)/t5-/m1/s1.
What are the key properties of 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid?
2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 145435288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).