2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid

C7H12N2O5 — CID 18934288

IUPAC2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
SMILESNCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O5/c8-2-1-5(10)9(3-6(11)12)4-7(13)14/h1-4,8H2,(H,11,12)(H,13,14)
InChIKeyYDDIDWGKHRKYLY-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.67
Rot. Bonds6

About 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid

2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid (PubChem CID 18934288) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
PubChem CID18934288
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
SMILESNCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O5/c8-2-1-5(10)9(3-6(11)12)4-7(13)14/h1-4,8H2,(H,11,12)(H,13,14)
InChIKeyYDDIDWGKHRKYLY-UHFFFAOYSA-N
XLogP-1.67
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-aminopropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 140554532
2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
CID 79268862
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
CID 107433829
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
3-amino-N,N-bis(2-sulfanylethyl)propanamide
CID 102109242
3-(15N)azanyl(113C)propanoic acid
CID 11366951
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
2-[carboxymethyl-[2-[carboxymethyl(hexanoyl)amino]ethyl]amino]acetic acid;propan-1-amine
CID 143996964
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
3-amino-N-(iodomethyl)-N-(2-oxobutyl)propanamide
CID 146565934
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid (CID 18934288) is 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid is NCCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid?
The InChIKey is YDDIDWGKHRKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c8-2-1-5(10)9(3-6(11)12)4-7(13)14/h1-4,8H2,(H,11,12)(H,13,14).
What are the key properties of 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid?
2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid has a molecular weight of 204.18 g/mol, XLogP of -1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 18934288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).