(2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid

C12H18N4O5 — CID 23241588

IUPAC(2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCc1cn(CC(=O)N[C@@H](CCCN)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O5/c1-7-5-16(12(21)15-10(7)18)6-9(17)14-8(11(19)20)3-2-4-13/h5,8H,2-4,6,13H2,1H3,(H,14,17)(H,19,20)(H,15,18,21)/t8-/m0/s1
InChIKeyIQZBOJUHDYIRKN-QMMMGPOBSA-N
MW298.30 g/mol
LogP-1.85
Rot. Bonds7

About (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid

(2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 23241588) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID23241588
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name(2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCc1cn(CC(=O)N[C@@H](CCCN)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O5/c1-7-5-16(12(21)15-10(7)18)6-9(17)14-8(11(19)20)3-2-4-13/h5,8H,2-4,6,13H2,1H3,(H,14,17)(H,19,20)(H,15,18,21)/t8-/m0/s1
InChIKeyIQZBOJUHDYIRKN-QMMMGPOBSA-N
XLogP-1.85
TPSA147.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(S)-6-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)hexanoic acid
CID 44413657
(S)-6-amino-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)hexanoic acid
CID 44413677
(S)-5-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)-5-oxopentanoic acid
CID 44413723
2-[[(2S)-2-amino-5-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]-5-oxopentanoyl]-methylamino]acetic acid
CID 56672391
(2S)-2-(2,2-dimethylpropanoylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774480
(2S)-2-(cyclobutanecarbonylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774481
(2S)-2-(cyclohexylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774488
(2S)-2-(2,2-dimethylpropylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774490
2-[4-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid
CID 391691
2-[5-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid
CID 391692
2-[6-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid
CID 391693
N-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]alanine
CID 196362

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid (CID 23241588) is (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid is Cc1cn(CC(=O)N[C@@H](CCCN)C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is IQZBOJUHDYIRKN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-7-5-16(12(21)15-10(7)18)6-9(17)14-8(11(19)20)3-2-4-13/h5,8H,2-4,6,13H2,1H3,(H,14,17)(H,19,20)(H,15,18,21)/t8-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
(2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 298.30 g/mol, XLogP of -1.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 23241588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).