(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid

C9H12N4O4 — CID 142628798

IUPAC(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESNc1ccn(C(=O)CC[C@H](N)C(=O)O)c(=O)n1
InChIInChI=1S/C9H12N4O4/c10-5(8(15)16)1-2-7(14)13-4-3-6(11)12-9(13)17/h3-5H,1-2,10H2,(H,15,16)(H2,11,12,17)/t5-/m0/s1
InChIKeyRARXDMBDKHZWMY-YFKPBYRVSA-N
MW240.22 g/mol
LogP-1.34
Rot. Bonds4

About (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid

(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid (PubChem CID 142628798) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid
PubChem CID142628798
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESNc1ccn(C(=O)CC[C@H](N)C(=O)O)c(=O)n1
InChIInChI=1S/C9H12N4O4/c10-5(8(15)16)1-2-7(14)13-4-3-6(11)12-9(13)17/h3-5H,1-2,10H2,(H,15,16)(H2,11,12,17)/t5-/m0/s1
InChIKeyRARXDMBDKHZWMY-YFKPBYRVSA-N
XLogP-1.34
TPSA141.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-Amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 19710923
2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid
CID 22326394
(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 102214320
(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 171043900
(2S)-5-amino-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-5-oxopentanoic acid
CID 101202249
5-Amino-4-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 101613981
(4S)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 101613983
(2S)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 102152021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid (CID 142628798) is (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid is Nc1ccn(C(=O)CC[C@H](N)C(=O)O)c(=O)n1.
What is the InChIKey of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid?
The InChIKey is RARXDMBDKHZWMY-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12N4O4/c10-5(8(15)16)1-2-7(14)13-4-3-6(11)12-9(13)17/h3-5H,1-2,10H2,(H,15,16)(H2,11,12,17)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid?
(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid has a molecular weight of 240.22 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 142628798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).