2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride

C5H11ClN2O3 — CID 87629074

IUPAC2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
SMILESCl.NCC(=O)CNCC(=O)O
InChIInChI=1S/C5H10N2O3.ClH/c6-1-4(8)2-7-3-5(9)10;/h7H,1-3,6H2,(H,9,10);1H
InChIKeyVDKQFVBZZCAONE-UHFFFAOYSA-N
MW182.61 g/mol
LogP-1.39
Rot. Bonds5

About 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride

2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride (PubChem CID 87629074) has the molecular formula C5H11ClN2O3 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
PubChem CID87629074
Molecular FormulaC5H11ClN2O3
Molecular Weight182.61 g/mol
Exact Mass182.05
IUPAC Name2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
SMILESCl.NCC(=O)CNCC(=O)O
InChIInChI=1S/C5H10N2O3.ClH/c6-1-4(8)2-7-3-5(9)10;/h7H,1-3,6H2,(H,9,10);1H
InChIKeyVDKQFVBZZCAONE-UHFFFAOYSA-N
XLogP-1.39
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carboxymethylamino)acetic acid
CID 8897
5-[(3-amino-2-oxopropyl)amino]pentanoic acid
CID 57465277
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803
1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one
CID 15689284
1-amino-3-[8-[(3-amino-2-oxopropyl)amino]octylamino]propan-2-one
CID 15689283
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
5-(15N)azanyl-4-oxopentanoic acid
CID 11018904
2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide
CID 118189326
8-amino-4,7-dioxooctanoic acid
CID 161356163
2-aminoacetic acid;methane;hydrochloride
CID 174614167

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride (CID 87629074) is 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride is Cl.NCC(=O)CNCC(=O)O.
What is the InChIKey of 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride?
The InChIKey is VDKQFVBZZCAONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.ClH/c6-1-4(8)2-7-3-5(9)10;/h7H,1-3,6H2,(H,9,10);1H.
What are the key properties of 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride?
2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 87629074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).