carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide

C16H21N3O4 — CID 90473324

IUPACcarbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
SMILESNCCC[C@H](N)C(=O)Nc1ccc2ccccc2c1.O=C(O)O
InChIInChI=1S/C15H19N3O.CH2O3/c16-9-3-6-14(17)15(19)18-13-8-7-11-4-1-2-5-12(11)10-13;2-1(3)4/h1-2,4-5,7-8,10,14H,3,6,9,16-17H2,(H,18,19);(H2,2,3,4)/t14-;/m0./s1
InChIKeyNVUXEINXRSYOMP-UQKRIMTDSA-N
MW319.36 g/mol
LogP2.07
Rot. Bonds5

About carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide

carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide (PubChem CID 90473324) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide.

Molecular Properties

Compound Namecarbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
PubChem CID90473324
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namecarbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
SMILESNCCC[C@H](N)C(=O)Nc1ccc2ccccc2c1.O=C(O)O
InChIInChI=1S/C15H19N3O.CH2O3/c16-9-3-6-14(17)15(19)18-13-8-7-11-4-1-2-5-12(11)10-13;2-1(3)4/h1-2,4-5,7-8,10,14H,3,6,9,16-17H2,(H,18,19);(H2,2,3,4)/t14-;/m0./s1
InChIKeyNVUXEINXRSYOMP-UQKRIMTDSA-N
XLogP2.07
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
CID 170783507
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-amino-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide;hydron;chloride
CID 74765110
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2S)-2,5-diamino-N-[(2S)-1-(4-tert-butylphenyl)-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
CID 170783524
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2S)-2,5-diamino-N-[(2S)-4-(naphthalen-2-ylamino)-4-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]pentanamide
CID 170783522
(2R)-2,5-diamino-N-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]-N-(3-phenylpropyl)pentanamide;2,2,2-trifluoroacetic acid
CID 67564937
bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentyl]-methylazanium;chloride;trihydrochloride
CID 173379990
(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide
CID 67565119

Frequently Asked Questions

What is the IUPAC name of carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide?
The IUPAC name of carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide (CID 90473324) is carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide.
What is the SMILES notation for carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide?
The canonical SMILES for carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide is NCCC[C@H](N)C(=O)Nc1ccc2ccccc2c1.O=C(O)O.
What is the InChIKey of carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide?
The InChIKey is NVUXEINXRSYOMP-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H19N3O.CH2O3/c16-9-3-6-14(17)15(19)18-13-8-7-11-4-1-2-5-12(11)10-13;2-1(3)4/h1-2,4-5,7-8,10,14H,3,6,9,16-17H2,(H,18,19);(H2,2,3,4)/t14-;/m0./s1.
What are the key properties of carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide?
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide has a molecular weight of 319.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide is sourced from PubChem (CID 90473324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).