(2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid

C11H22N4O3 — CID 67154462

IUPAC(2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
SMILESCN(C)C1CCN(C(=O)NC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H22N4O3/c1-14(2)8-3-5-15(6-4-8)11(18)13-7-9(12)10(16)17/h8-9H,3-7,12H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1
InChIKeyYNBLDNRSXSKXSC-VIFPVBQESA-N
MW258.32 g/mol
LogP-0.87
Rot. Bonds4

About (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid

(2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 67154462) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID67154462
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
SMILESCN(C)C1CCN(C(=O)NC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H22N4O3/c1-14(2)8-3-5-15(6-4-8)11(18)13-7-9(12)10(16)17/h8-9H,3-7,12H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1
InChIKeyYNBLDNRSXSKXSC-VIFPVBQESA-N
XLogP-0.87
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid (CID 67154462) is (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid is CN(C)C1CCN(C(=O)NC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is YNBLDNRSXSKXSC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N4O3/c1-14(2)8-3-5-15(6-4-8)11(18)13-7-9(12)10(16)17/h8-9H,3-7,12H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
(2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 67154462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).