2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid

C7H14N2O4 — CID 171442588

IUPAC2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid
SMILESCC(=O)N(CC(=O)O)C[C@@H](N)CO
InChIInChI=1S/C7H14N2O4/c1-5(11)9(3-7(12)13)2-6(8)4-10/h6,10H,2-4,8H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyQYPFCCQVAWTQST-ZCFIWIBFSA-N
MW190.20 g/mol
LogP-1.76
Rot. Bonds5

About 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid

2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid (PubChem CID 171442588) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid
PubChem CID171442588
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid
SMILESCC(=O)N(CC(=O)O)C[C@@H](N)CO
InChIInChI=1S/C7H14N2O4/c1-5(11)9(3-7(12)13)2-6(8)4-10/h6,10H,2-4,8H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyQYPFCCQVAWTQST-ZCFIWIBFSA-N
XLogP-1.76
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(aminomethyl)-N-(hydroxymethyl)acetamide
CID 59944687
2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
CID 118650049
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[carboxymethyl-[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]acetic acid
CID 104553021
2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
CID 91150054
4-amino-5-hydroxypentanoic acid
CID 162240530
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
2-[carbamimidoyl(2-oxopropyl)amino]acetic acid
CID 118322379
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
CID 88764935
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid?
The IUPAC name of 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid (CID 171442588) is 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid.
What is the SMILES notation for 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid?
The canonical SMILES for 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid is CC(=O)N(CC(=O)O)C[C@@H](N)CO.
What is the InChIKey of 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid?
The InChIKey is QYPFCCQVAWTQST-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-5(11)9(3-7(12)13)2-6(8)4-10/h6,10H,2-4,8H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid?
2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid has a molecular weight of 190.20 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid is sourced from PubChem (CID 171442588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).