(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid

C9H18N2O4 — CID 80751495

IUPAC(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)(C)NCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)10-4-7(13)11-6(5-12)8(14)15/h6,10,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)/t6-/m1/s1
InChIKeyCXBQIGKIYYOJRY-ZCFIWIBFSA-N
MW218.25 g/mol
LogP-1.06
Rot. Bonds5

About (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80751495) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80751495
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)(C)NCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)10-4-7(13)11-6(5-12)8(14)15/h6,10,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)/t6-/m1/s1
InChIKeyCXBQIGKIYYOJRY-ZCFIWIBFSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
CID 107835525
2-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 167243280
(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
CID 61161925
2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid
CID 144619176
(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 80751277
(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
CID 80750284
(2R)-3-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
CID 104864077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid (CID 80751495) is (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid is CC(C)(C)NCC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is CXBQIGKIYYOJRY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)10-4-7(13)11-6(5-12)8(14)15/h6,10,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 218.25 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).