(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid

C6H11N3O2 — CID 130320680

IUPAC(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid
SMILESCC1(CC[C@H](N)C(=O)O)N=N1
InChIInChI=1S/C6H11N3O2/c1-6(8-9-6)3-2-4(7)5(10)11/h4H,2-3,7H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyYHZILLMARKDNKF-BYPYZUCNSA-N
MW157.17 g/mol
LogP0.36
Rot. Bonds4

About (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid

(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid (PubChem CID 130320680) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid
PubChem CID130320680
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid
SMILESCC1(CC[C@H](N)C(=O)O)N=N1
InChIInChI=1S/C6H11N3O2/c1-6(8-9-6)3-2-4(7)5(10)11/h4H,2-3,7H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyYHZILLMARKDNKF-BYPYZUCNSA-N
XLogP0.36
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[3-(3-methyldiazirin-3-yl)propylcarbamoylamino]hexanoic acid;hydrochloride
CID 171324498
2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid
CID 171037968
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-4,4-dideuteriopentanoic acid
CID 158119315
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid (CID 130320680) is (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid is CC1(CC[C@H](N)C(=O)O)N=N1.
What is the InChIKey of (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid?
The InChIKey is YHZILLMARKDNKF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-6(8-9-6)3-2-4(7)5(10)11/h4H,2-3,7H2,1H3,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid?
(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid is sourced from PubChem (CID 130320680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).