diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate

C18H25N3O5 — CID 175570678

IUPACdiethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccc(N)c(C2CC2)n1)C(=O)OCC
InChIInChI=1S/C18H25N3O5/c1-3-25-15(22)10-9-14(18(24)26-4-2)21-17(23)13-8-7-12(19)16(20-13)11-5-6-11/h7-8,11,14H,3-6,9-10,19H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyUGGTVDICDCVXLE-AWEZNQCLSA-N
MW363.41 g/mol
LogP1.55
Rot. Bonds9

About diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate

diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate (PubChem CID 175570678) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate.

Molecular Properties

Compound Namediethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate
PubChem CID175570678
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namediethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccc(N)c(C2CC2)n1)C(=O)OCC
InChIInChI=1S/C18H25N3O5/c1-3-25-15(22)10-9-14(18(24)26-4-2)21-17(23)13-8-7-12(19)16(20-13)11-5-6-11/h7-8,11,14H,3-6,9-10,19H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyUGGTVDICDCVXLE-AWEZNQCLSA-N
XLogP1.55
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl (2S)-2-[(4-amino-3-methylbenzoyl)amino]pentanedioate
CID 14986741
diethyl (2R)-2-[(2-bromo-1,3-thiazole-4-carbonyl)amino]pentanedioate
CID 70110304
diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate
CID 3852120
diethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]pentanedioate
CID 67926864
diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate
CID 10087888
diethyl (2S)-2-[[6-cyclopropyloxy-5-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)carbamoylamino]pyridine-2-carbonyl]amino]pentanedioate
CID 146213807
diethyl (2S)-2-[(4-formylbenzoyl)amino]pentanedioate
CID 13345227
diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate
CID 3692953
diethyl 2-[(4-aminophenyl)methylamino]pentanedioate
CID 85049917
diethyl 2-[(5-bromothiophene-2-carbonyl)amino]pentanedioate
CID 75164214
diethyl 2-[(6-bromopyridine-3-carbonyl)amino]pentanedioate
CID 123619721
diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate
CID 14842194

Frequently Asked Questions

What is the IUPAC name of diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate?
The IUPAC name of diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate (CID 175570678) is diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate.
What is the SMILES notation for diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate?
The canonical SMILES for diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate is CCOC(=O)CC[C@H](NC(=O)c1ccc(N)c(C2CC2)n1)C(=O)OCC.
What is the InChIKey of diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate?
The InChIKey is UGGTVDICDCVXLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-3-25-15(22)10-9-14(18(24)26-4-2)21-17(23)13-8-7-12(19)16(20-13)11-5-6-11/h7-8,11,14H,3-6,9-10,19H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate?
diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate has a molecular weight of 363.41 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S)-2-[(5-amino-6-cyclopropylpyridine-2-carbonyl)amino]pentanedioate is sourced from PubChem (CID 175570678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).