2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium

C11H17N4O5+ — CID 3382776

IUPAC2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium
SMILESCc1cn(CC(=O)N(CC[NH3+])CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1
InChIKeyNSCRQJLBPSKCNK-UHFFFAOYSA-O
MW285.28 g/mol
LogP-3.00
Rot. Bonds6

About 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium

2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium (PubChem CID 3382776) has the molecular formula C11H17N4O5+ and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium
PubChem CID3382776
Molecular FormulaC11H17N4O5+
Molecular Weight285.28 g/mol
Exact Mass285.12
IUPAC Name2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium
SMILESCc1cn(CC(=O)N(CC[NH3+])CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1
InChIKeyNSCRQJLBPSKCNK-UHFFFAOYSA-O
XLogP-3.00
TPSA140.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-3.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium 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-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetic acid
CID 510393
L-alanyl-2-(5-fluorouracil-1-yl)-D-glycine
CID 510392
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
(2S)-2-(2,2-dimethylpropylamino)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774514
N-(2-Aminoethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 4264356
2(R)-(5-fluorouracil-1-yl)acetylglycin
CID 13876023
2-[[2-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)acetyl]-[2-(octadecanoylamino)ethyl]amino]acetic acid
CID 12184775
(2S)-2-(2,2-dimethylpropanoylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774480
(2S)-2-(2,2-dimethylpropylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774490
(2S)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(3-methylbutylamino)propanoic acid
CID 71693222
N-(t-butoxycarbonylaminoethyl)-N-(thyminylacetyl)-glycine-ethyl ester
CID 10093089

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
The IUPAC name of 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium (CID 3382776) is 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium.
What is the SMILES notation for 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
The canonical SMILES for 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium is Cc1cn(CC(=O)N(CC[NH3+])CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
The InChIKey is NSCRQJLBPSKCNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1.
What are the key properties of 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium?
2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium has a molecular weight of 285.28 g/mol, XLogP of -3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylazanium is sourced from PubChem (CID 3382776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).