(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid

C16H24N2O5 — CID 120913356

IUPAC(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCOCCN(CCOC)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O5/c1-22-10-8-18(9-11-23-2)16(21)17-14(15(19)20)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,21)(H,19,20)/t14-/m1/s1
InChIKeyXCHKAZWCOAGZGV-CQSZACIVSA-N
MW324.38 g/mol
LogP0.99
Rot. Bonds10

About (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid

(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 120913356) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID120913356
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCOCCN(CCOC)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O5/c1-22-10-8-18(9-11-23-2)16(21)17-14(15(19)20)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,21)(H,19,20)/t14-/m1/s1
InChIKeyXCHKAZWCOAGZGV-CQSZACIVSA-N
XLogP0.99
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylcarbamoylamino)-3-phenylpropanoic acid
CID 3396310
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902324
(2S)-2-(3-methoxypropylcarbamoylamino)-3-phenylpropanoic acid
CID 2001021
(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
CID 122037947
(2R)-2-[[ethyl(prop-2-ynyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902454
(2S)-2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119366395
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid (CID 120913356) is (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid is COCCN(CCOC)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is XCHKAZWCOAGZGV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-22-10-8-18(9-11-23-2)16(21)17-14(15(19)20)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid?
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 324.38 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 120913356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).