(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide

C8H16N6O — CID 107569502

IUPAC(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C8H16N6O/c1-3-4-6(9)8(15)10-5(2)7-11-13-14-12-7/h5-6H,3-4,9H2,1-2H3,(H,10,15)(H,11,12,13,14)/t5?,6-/m0/s1
InChIKeyBVLSZHROCLZSBY-GDVGLLTNSA-N
MW212.26 g/mol
LogP-0.50
Rot. Bonds5

About (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide

(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide (PubChem CID 107569502) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
PubChem CID107569502
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C8H16N6O/c1-3-4-6(9)8(15)10-5(2)7-11-13-14-12-7/h5-6H,3-4,9H2,1-2H3,(H,10,15)(H,11,12,13,14)/t5?,6-/m0/s1
InChIKeyBVLSZHROCLZSBY-GDVGLLTNSA-N
XLogP-0.50
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
5-amino-N-[1-(2H-tetrazol-5-yl)ethyl]hexanamide
CID 82851846
N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
CID 65426546
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012
1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
CID 62700432
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123691063
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide (CID 107569502) is (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide is CCC[C@H](N)C(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
The InChIKey is BVLSZHROCLZSBY-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H16N6O/c1-3-4-6(9)8(15)10-5(2)7-11-13-14-12-7/h5-6H,3-4,9H2,1-2H3,(H,10,15)(H,11,12,13,14)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide has a molecular weight of 212.26 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 107569502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).