ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate

C10H15N5O4 — CID 110482748

IUPACethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(=O)[C@@H](N)CC(N)=O
InChIInChI=1S/C10H15N5O4/c1-2-19-10(18)5-4-13-15-8(5)14-9(17)6(11)3-7(12)16/h4,6H,2-3,11H2,1H3,(H2,12,16)(H2,13,14,15,17)/t6-/m0/s1
InChIKeyNFGKQOIDDMTWMG-LURJTMIESA-N
MW269.26 g/mol
LogP-1.27
Rot. Bonds6

About ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate

ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate (PubChem CID 110482748) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate
PubChem CID110482748
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Nameethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(=O)[C@@H](N)CC(N)=O
InChIInChI=1S/C10H15N5O4/c1-2-19-10(18)5-4-13-15-8(5)14-9(17)6(11)3-7(12)16/h4,6H,2-3,11H2,1H3,(H2,12,16)(H2,13,14,15,17)/t6-/m0/s1
InChIKeyNFGKQOIDDMTWMG-LURJTMIESA-N
XLogP-1.27
TPSA153.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate (CID 110482748) is ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1NC(=O)[C@@H](N)CC(N)=O.
What is the InChIKey of ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate?
The InChIKey is NFGKQOIDDMTWMG-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N5O4/c1-2-19-10(18)5-4-13-15-8(5)14-9(17)6(11)3-7(12)16/h4,6H,2-3,11H2,1H3,(H2,12,16)(H2,13,14,15,17)/t6-/m0/s1.
What are the key properties of ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate?
ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate has a molecular weight of 269.26 g/mol, XLogP of -1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 110482748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).