2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

C10H13N3O3 — CID 136958477

IUPAC2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c14-9-3-8(11-6-12-9)13(5-10(15)16)4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,15,16)(H,11,12,14)
InChIKeyKDIZXOUCSOXKCY-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds5

About 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958477) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958477
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c14-9-3-8(11-6-12-9)13(5-10(15)16)4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,15,16)(H,11,12,14)
InChIKeyKDIZXOUCSOXKCY-UHFFFAOYSA-N
XLogP0.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959229
2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958334
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958336
2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958421
2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958444
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958446
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 136958476
2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958478
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958480
2-[(6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 136958501
2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958520

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958477) is 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)CN(CC1CC1)c1cc(=O)[nH]cn1.
What is the InChIKey of 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is KDIZXOUCSOXKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-3-8(11-6-12-9)13(5-10(15)16)4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,15,16)(H,11,12,14).
What are the key properties of 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).