(2S)-2-amino-N-ethylbutanediamide

C6H13N3O2 — CID 87319085

IUPAC(2S)-2-amino-N-ethylbutanediamide
SMILESCCNC(=O)[C@@H](N)CC(N)=O
InChIInChI=1S/C6H13N3O2/c1-2-9-6(11)4(7)3-5(8)10/h4H,2-3,7H2,1H3,(H2,8,10)(H,9,11)/t4-/m0/s1
InChIKeyRWBOZUARFPJNQG-BYPYZUCNSA-N
MW159.19 g/mol
LogP-1.67
Rot. Bonds4

About (2S)-2-amino-N-ethylbutanediamide

(2S)-2-amino-N-ethylbutanediamide (PubChem CID 87319085) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S)-2-amino-N-ethylbutanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethylbutanediamide
PubChem CID87319085
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(2S)-2-amino-N-ethylbutanediamide
SMILESCCNC(=O)[C@@H](N)CC(N)=O
InChIInChI=1S/C6H13N3O2/c1-2-9-6(11)4(7)3-5(8)10/h4H,2-3,7H2,1H3,(H2,8,10)(H,9,11)/t4-/m0/s1
InChIKeyRWBOZUARFPJNQG-BYPYZUCNSA-N
XLogP-1.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethylbutanediamide?
The IUPAC name of (2S)-2-amino-N-ethylbutanediamide (CID 87319085) is (2S)-2-amino-N-ethylbutanediamide.
What is the SMILES notation for (2S)-2-amino-N-ethylbutanediamide?
The canonical SMILES for (2S)-2-amino-N-ethylbutanediamide is CCNC(=O)[C@@H](N)CC(N)=O.
What is the InChIKey of (2S)-2-amino-N-ethylbutanediamide?
The InChIKey is RWBOZUARFPJNQG-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-9-6(11)4(7)3-5(8)10/h4H,2-3,7H2,1H3,(H2,8,10)(H,9,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethylbutanediamide?
(2S)-2-amino-N-ethylbutanediamide has a molecular weight of 159.19 g/mol, XLogP of -1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethylbutanediamide is sourced from PubChem (CID 87319085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).