(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide

C14H29N3O3 — CID 174553073

IUPAC(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCCC1)C(C)C.C[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O.C3H7NO2/c1-9(2)13(10(3)4)11(14)12-7-5-6-8-12;1-2(4)3(5)6/h9-10H,5-8H2,1-4H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyFOFFNOPPPBAWIQ-WNQIDUERSA-N
MW287.40 g/mol
LogP1.74
Rot. Bonds3

About (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide

(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 174553073) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
PubChem CID174553073
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCCC1)C(C)C.C[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O.C3H7NO2/c1-9(2)13(10(3)4)11(14)12-7-5-6-8-12;1-2(4)3(5)6/h9-10H,5-8H2,1-4H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyFOFFNOPPPBAWIQ-WNQIDUERSA-N
XLogP1.74
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
CID 175256682
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
CID 86589108
CID 86589108
(2S)-2-aminopropanoic acid;polane
CID 173022618
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide (CID 174553073) is (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide is CC(C)N(C(=O)N1CCCC1)C(C)C.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is FOFFNOPPPBAWIQ-WNQIDUERSA-N. The full InChI is InChI=1S/C11H22N2O.C3H7NO2/c1-9(2)13(10(3)4)11(14)12-7-5-6-8-12;1-2(4)3(5)6/h9-10H,5-8H2,1-4H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide?
(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 174553073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).