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

C17H25N3O4 — CID 167243280

IUPAC(2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
SMILESCC(C)(C)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25N3O4/c1-17(2,3)19-11-14(21)18-10-15(22)20-13(16(23)24)9-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,18,21)(H,20,22)(H,23,24)/t13-/m1/s1
InChIKeyAQGOJNQGVXYAKW-CYBMUJFWSA-N
MW335.40 g/mol
LogP0.30
Rot. Bonds8

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

(2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid (PubChem CID 167243280) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
PubChem CID167243280
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
SMILESCC(C)(C)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25N3O4/c1-17(2,3)19-11-14(21)18-10-15(22)20-13(16(23)24)9-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,18,21)(H,20,22)(H,23,24)/t13-/m1/s1
InChIKeyAQGOJNQGVXYAKW-CYBMUJFWSA-N
XLogP0.30
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 18235515
(2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 54179329
(2S)-N-ethyl-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-3-phenylpropanamide
CID 135192567
2-[[2-[[(2S)-2-(tert-butylamino)-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 167242834
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
(2S)-2-(tert-butylamino)-3-phenylpropanoic acid;hydrochloride
CID 66836735
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 6914726
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
CID 80751495
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
2-[(2-formamidoacetyl)amino]-3-phenylpropanoic acid
CID 86010429

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid (CID 167243280) is (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid is CC(C)(C)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is AQGOJNQGVXYAKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,3)19-11-14(21)18-10-15(22)20-13(16(23)24)9-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,18,21)(H,20,22)(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 335.40 g/mol, XLogP of 0.30, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 167243280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).