(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid

C14H18N2O3 — CID 54991255

IUPAC(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)Nc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(13(17)18)15-14(19)16-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18)(H2,15,16,19)/t9-/m1/s1
InChIKeyXNEAGAVOYVBSTH-SECBINFHSA-N
MW262.31 g/mol
LogP2.16
Rot. Bonds3

About (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid

(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid (PubChem CID 54991255) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
PubChem CID54991255
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)Nc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(13(17)18)15-14(19)16-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18)(H2,15,16,19)/t9-/m1/s1
InChIKeyXNEAGAVOYVBSTH-SECBINFHSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 103232448
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid (CID 54991255) is (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid is C[C@@H](NC(=O)Nc1cccc2c1CCCC2)C(=O)O.
What is the InChIKey of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
The InChIKey is XNEAGAVOYVBSTH-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(13(17)18)15-14(19)16-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18)(H2,15,16,19)/t9-/m1/s1.
What are the key properties of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 54991255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).