benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate

C19H21N5O5 — CID 18229677

IUPACbenzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate
SMILESNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C19H21N5O5/c20-16(25)9-8-15(22-19(28)29-12-13-5-2-1-3-6-13)18(27)24-23-17(26)14-7-4-10-21-11-14/h1-7,10-11,15H,8-9,12H2,(H2,20,25)(H,22,28)(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyDDXOARNRVQXLRU-HNNXBMFYSA-N
MW399.41 g/mol
LogP0.40
Rot. Bonds8

About benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate

benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate (PubChem CID 18229677) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate
PubChem CID18229677
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Namebenzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate
SMILESNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C19H21N5O5/c20-16(25)9-8-15(22-19(28)29-12-13-5-2-1-3-6-13)18(27)24-23-17(26)14-7-4-10-21-11-14/h1-7,10-11,15H,8-9,12H2,(H2,20,25)(H,22,28)(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyDDXOARNRVQXLRU-HNNXBMFYSA-N
XLogP0.40
TPSA152.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate with MolForge

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Related Compounds

benzyl N-[(2S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]butan-2-yl]carbamate
CID 35149040
phenacyl (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 7658599
benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(phenylcarbamothioyl)hydrazinyl]pentan-2-yl]carbamate
CID 18276525
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
2-[[(2S)-5-amino-2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 67799851
benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
CID 156757915
methyl (2S)-2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate
CID 14127737
(2S)-6-(phenylmethoxycarbonylamino)-2-(pyridine-3-carbonylamino)hexanoic acid
CID 44586529
benzyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]carbamate
CID 25392424
methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 15382400
benzyl N-[(2S)-5-amino-1-(3-iodoanilino)-1,5-dioxopentan-2-yl]carbamate
CID 24634676
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate (CID 18229677) is benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate is NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cccnc1.
What is the InChIKey of benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate?
The InChIKey is DDXOARNRVQXLRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O5/c20-16(25)9-8-15(22-19(28)29-12-13-5-2-1-3-6-13)18(27)24-23-17(26)14-7-4-10-21-11-14/h1-7,10-11,15H,8-9,12H2,(H2,20,25)(H,22,28)(H,23,26)(H,24,27)/t15-/m0/s1.
What are the key properties of benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate?
benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate has a molecular weight of 399.41 g/mol, XLogP of 0.40, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-5-amino-1,5-dioxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]carbamate is sourced from PubChem (CID 18229677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).