2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid

C11H17N5O5 — CID 174229698

IUPAC2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESNCCN(C(=O)Cn1ccc(N)nc1=O)C(CO)C(=O)O
InChIInChI=1S/C11H17N5O5/c12-2-4-16(7(6-17)10(19)20)9(18)5-15-3-1-8(13)14-11(15)21/h1,3,7,17H,2,4-6,12H2,(H,19,20)(H2,13,14,21)
InChIKeyYAHJUCRVJWTMMV-UHFFFAOYSA-N
MW299.29 g/mol
LogP-2.94
Rot. Bonds7

About 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid

2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 174229698) has the molecular formula C11H17N5O5 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID174229698
Molecular FormulaC11H17N5O5
Molecular Weight299.29 g/mol
Exact Mass299.12
IUPAC Name2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESNCCN(C(=O)Cn1ccc(N)nc1=O)C(CO)C(=O)O
InChIInChI=1S/C11H17N5O5/c12-2-4-16(7(6-17)10(19)20)9(18)5-15-3-1-8(13)14-11(15)21/h1,3,7,17H,2,4-6,12H2,(H,19,20)(H2,13,14,21)
InChIKeyYAHJUCRVJWTMMV-UHFFFAOYSA-N
XLogP-2.94
TPSA164.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-2.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylamino)-ethylglycine-carbonylmethylene-cytosine
CID 4627777
2-Aminoethylglycine-carbonylmethylene-cytosine
CID 4627781
N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
CID 49866500
(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 91341012
2-[2-Aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 4627782
2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 166164312
4-amino-1-[2-hydroxy-2-[[(2R)-1-hydroxy-3-oxobutan-2-yl]-[2-(methylamino)ethyl]amino]ethyl]pyrimidin-2-one
CID 167121674
(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 171442584
2-[[(2R)-2-amino-3-hydroxypropyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 171442604
2-[(2-Amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 174229831
3-Hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43357744
(2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 61151922

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid (CID 174229698) is 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid is NCCN(C(=O)Cn1ccc(N)nc1=O)C(CO)C(=O)O.
What is the InChIKey of 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is YAHJUCRVJWTMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O5/c12-2-4-16(7(6-17)10(19)20)9(18)5-15-3-1-8(13)14-11(15)21/h1,3,7,17H,2,4-6,12H2,(H,19,20)(H2,13,14,21).
What are the key properties of 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 299.29 g/mol, XLogP of -2.94, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 174229698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).