(2S)-2-amino-N',3,3-trimethylbutanehydrazide

C7H17N3O — CID 89289815

IUPAC(2S)-2-amino-N',3,3-trimethylbutanehydrazide
SMILESCNNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C7H17N3O/c1-7(2,3)5(8)6(11)10-9-4/h5,9H,8H2,1-4H3,(H,10,11)/t5-/m1/s1
InChIKeyAKURZRSUNHCLAI-RXMQYKEDSA-N
MW159.23 g/mol
LogP-0.39
Rot. Bonds2

About (2S)-2-amino-N',3,3-trimethylbutanehydrazide

(2S)-2-amino-N',3,3-trimethylbutanehydrazide (PubChem CID 89289815) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-amino-N',3,3-trimethylbutanehydrazide.

Molecular Properties

Compound Name(2S)-2-amino-N',3,3-trimethylbutanehydrazide
PubChem CID89289815
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(2S)-2-amino-N',3,3-trimethylbutanehydrazide
SMILESCNNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C7H17N3O/c1-7(2,3)5(8)6(11)10-9-4/h5,9H,8H2,1-4H3,(H,10,11)/t5-/m1/s1
InChIKeyAKURZRSUNHCLAI-RXMQYKEDSA-N
XLogP-0.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480
(2S)-2-amino-N-hydroxy-3,3-dimethylbutanamide
CID 63992597
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 61154008
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide
CID 64974712
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide
CID 103307829

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N',3,3-trimethylbutanehydrazide?
The IUPAC name of (2S)-2-amino-N',3,3-trimethylbutanehydrazide (CID 89289815) is (2S)-2-amino-N',3,3-trimethylbutanehydrazide.
What is the SMILES notation for (2S)-2-amino-N',3,3-trimethylbutanehydrazide?
The canonical SMILES for (2S)-2-amino-N',3,3-trimethylbutanehydrazide is CNNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N',3,3-trimethylbutanehydrazide?
The InChIKey is AKURZRSUNHCLAI-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(2,3)5(8)6(11)10-9-4/h5,9H,8H2,1-4H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (2S)-2-amino-N',3,3-trimethylbutanehydrazide?
(2S)-2-amino-N',3,3-trimethylbutanehydrazide has a molecular weight of 159.23 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N',3,3-trimethylbutanehydrazide is sourced from PubChem (CID 89289815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).