sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride

C5H12NNaO3 — CID 174202899

IUPACsodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
SMILESCCC(N)(CO)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H11NO3.Na.H/c1-2-5(6,3-7)4(8)9;;/h7H,2-3,6H2,1H3,(H,8,9);;/q;+1;-1
InChIKeyYHFGNRVXBFCJEJ-UHFFFAOYSA-N
MW157.15 g/mol
LogP-3.71
Rot. Bonds3

About sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride

sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride (PubChem CID 174202899) has the molecular formula C5H12NNaO3 and a molecular weight of 157.15 g/mol. Its IUPAC name is sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride.

Molecular Properties

Compound Namesodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
PubChem CID174202899
Molecular FormulaC5H12NNaO3
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Namesodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
SMILESCCC(N)(CO)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H11NO3.Na.H/c1-2-5(6,3-7)4(8)9;;/h7H,2-3,6H2,1H3,(H,8,9);;/q;+1;-1
InChIKeyYHFGNRVXBFCJEJ-UHFFFAOYSA-N
XLogP-3.71
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-3.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate
CID 88950690
(2S)-2-amino-2-(hydroxymethyl)-3-sulfanylpropanoic acid
CID 87481343
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-amino-2-ethyl-5-hydroxypent-4-enoic acid
CID 173443210
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
2-amino-2-ethyl-N,N-dimethylbutanamide;hydrochloride
CID 86674742
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-2-ethylbutanamide;ethane
CID 176999268
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
5-amino-5-ethyl-2-methylheptan-4-one
CID 116592612

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride?
The IUPAC name of sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride (CID 174202899) is sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride.
What is the SMILES notation for sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride?
The canonical SMILES for sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride is CCC(N)(CO)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride?
The InChIKey is YHFGNRVXBFCJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.Na.H/c1-2-5(6,3-7)4(8)9;;/h7H,2-3,6H2,1H3,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride?
sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride has a molecular weight of 157.15 g/mol, XLogP of -3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride is sourced from PubChem (CID 174202899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).