2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid

C7H13NO3 — CID 63296306

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CNCC(O)C1CC1
InChIInChI=1S/C7H13NO3/c9-6(5-1-2-5)3-8-4-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyDAXNQICACOTYBQ-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.57
Rot. Bonds5

About 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid

2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid (PubChem CID 63296306) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
PubChem CID63296306
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CNCC(O)C1CC1
InChIInChI=1S/C7H13NO3/c9-6(5-1-2-5)3-8-4-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyDAXNQICACOTYBQ-UHFFFAOYSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 103251562
2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol
CID 63296815
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 63298948
2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
CID 103251531
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 63298890
1-cyclopropyl-2-(2,2-difluoroethylamino)ethanol
CID 63298404
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
2-(cyclobutylmethylamino)-1-cyclopropylethanol
CID 65458042
2-[5-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894664
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 129053752
acetic acid;2-(2,2-dihydroxyethylamino)acetic acid
CID 175208763
N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)acetamide
CID 63296919

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid (CID 63296306) is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid is O=C(O)CNCC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid?
The InChIKey is DAXNQICACOTYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-6(5-1-2-5)3-8-4-7(10)11/h5-6,8-9H,1-4H2,(H,10,11).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid?
2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 63296306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).