(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid

C19H24N2O3 — CID 69229055

IUPAC(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
SMILESC[C@H](NC(=O)N[C@H](C(=O)O)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O3/c1-12(14-11-7-9-13-8-5-6-10-15(13)14)20-18(24)21-16(17(22)23)19(2,3)4/h5-12,16H,1-4H3,(H,22,23)(H2,20,21,24)/t12-,16+/m0/s1
InChIKeyQFSABRPQBJZFLE-BLLLJJGKSA-N
MW328.41 g/mol
LogP3.70
Rot. Bonds4

About (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid

(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid (PubChem CID 69229055) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
PubChem CID69229055
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
SMILESC[C@H](NC(=O)N[C@H](C(=O)O)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O3/c1-12(14-11-7-9-13-8-5-6-10-15(13)14)20-18(24)21-16(17(22)23)19(2,3)4/h5-12,16H,1-4H3,(H,22,23)(H2,20,21,24)/t12-,16+/m0/s1
InChIKeyQFSABRPQBJZFLE-BLLLJJGKSA-N
XLogP3.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid
CID 69228655
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid (CID 69229055) is (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid is C[C@H](NC(=O)N[C@H](C(=O)O)C(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid?
The InChIKey is QFSABRPQBJZFLE-BLLLJJGKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(14-11-7-9-13-8-5-6-10-15(13)14)20-18(24)21-16(17(22)23)19(2,3)4/h5-12,16H,1-4H3,(H,22,23)(H2,20,21,24)/t12-,16+/m0/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid?
(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid has a molecular weight of 328.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 69229055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).