(2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid

C11H18N6O5 — CID 90352267

IUPAC(2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)N[C@@H](CCc1nn[nH]n1)OC=O)C(=O)O
InChIInChI=1S/C11H18N6O5/c1-2-3-7(10(19)20)12-11(21)13-9(22-6-18)5-4-8-14-16-17-15-8/h6-7,9H,2-5H2,1H3,(H,19,20)(H2,12,13,21)(H,14,15,16,17)/t7-,9+/m0/s1
InChIKeyWPLZCSHRCXNJDR-IONNQARKSA-N
MW314.30 g/mol
LogP-0.82
Rot. Bonds10

About (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid

(2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid (PubChem CID 90352267) has the molecular formula C11H18N6O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid
PubChem CID90352267
Molecular FormulaC11H18N6O5
Molecular Weight314.30 g/mol
Exact Mass314.13
IUPAC Name(2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)N[C@@H](CCc1nn[nH]n1)OC=O)C(=O)O
InChIInChI=1S/C11H18N6O5/c1-2-3-7(10(19)20)12-11(21)13-9(22-6-18)5-4-8-14-16-17-15-8/h6-7,9H,2-5H2,1H3,(H,19,20)(H2,12,13,21)(H,14,15,16,17)/t7-,9+/m0/s1
InChIKeyWPLZCSHRCXNJDR-IONNQARKSA-N
XLogP-0.82
TPSA159.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic 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

(2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid
CID 11152839
2-[(5-amino-1-formyloxypentyl)carbamoylamino]pentanoic acid
CID 135242549
(2S)-2-[[(1R)-5-[[18-[1-(2-(18F)fluoroethyl)triazol-4-yl]-8,16-dioxooctadecanoyl]amino]-1-formyloxypentyl]carbamoylamino]pentanoic acid
CID 159237240
2-(2H-tetrazol-5-ylmethylamino)butanoic acid
CID 115353295
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
(2S)-2-[[(1R)-3-[4-(2-(18F)fluoroethyl)triazol-1-yl]-1-formyloxypropyl]carbamoylamino]pentanedioic acid
CID 153411113
(2S)-2-[[(1R)-1-formyloxy-5-[4-(methoxymethyl)triazol-1-yl]pentyl]carbamoylamino]pentanedioic acid
CID 58078855
(2R)-5-methoxy-5-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107827245
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid
CID 107567629
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide
CID 154450387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid (CID 90352267) is (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)N[C@@H](CCc1nn[nH]n1)OC=O)C(=O)O.
What is the InChIKey of (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid?
The InChIKey is WPLZCSHRCXNJDR-IONNQARKSA-N. The full InChI is InChI=1S/C11H18N6O5/c1-2-3-7(10(19)20)12-11(21)13-9(22-6-18)5-4-8-14-16-17-15-8/h6-7,9H,2-5H2,1H3,(H,19,20)(H2,12,13,21)(H,14,15,16,17)/t7-,9+/m0/s1.
What are the key properties of (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid?
(2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid has a molecular weight of 314.30 g/mol, XLogP of -0.82, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 90352267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).